| SpectraBase Compound ID | 8nuYnNdEbjX |
|---|---|
| InChI | InChI=1S/C10H7IO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,1H3 |
| InChIKey | QVRPVXDKAYTMOT-UHFFFAOYSA-N |
| Mol Weight | 302.07 g/mol |
| Molecular Formula | C10H7IO3 |
| Exact Mass | 301.943989 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ElcO3j8j0w7 |
|---|---|
| Name | 7-Hydroxy-8-iodo-4-methyl-2H-chromen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.943989082 u |
| Formula | C10H7IO3 |
| InChI | InChI=1S/C10H7IO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,1H3 |
| InChIKey | QVRPVXDKAYTMOT-UHFFFAOYSA-N |
| Molecular Weight | 302.067 g/mol |
| SMILES | C1(I)=C2C(=CC=C1O)C(=CC(O2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903061 |